Information card for entry 7002754

Structure parameters

• Formula: C48 H60 Cu4 F12 N8 O24 S4
• Calculated formula: C48 H60 Cu4 F12 N8 O24 S4
• SMILES: c1cccc2CC[N]3(C)[Cu]4([n]12)([O]=C(O[Cu]12([n]5ccccc5CC[N]1(C)CCC(=[O]2)O[Cu]12([n]5ccccc5CC[N]1(C)CCC(=[O]2)O[Cu]12([n]5ccccc5CC[N]1(C)CCC(O4)=[O]2)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)CC3)OS(=O)(=O)C(F)(F)F.O.O.O.O
• Title of publication: Molecular squares of Ni(II) and Cu(II): ferromagnetic exchange interaction mediated by syn-anti carboxylate-bridging.
• Authors of publication: Arora, Himanshu; Lloret, Francesc; Mukherjee, Rabindranath
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2009
• Journal issue: 44
• Pages of publication: 9759 - 9769
• a: 19.7752 ± 0.0008 Å
• b: 19.7752 ± 0.0008 Å
• c: 8.4849 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3318.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No